N-(5-bromo-2-chloro-3-pyridinyl)-6-methylpyridine-2-carboxamide

C12H9BrClN3O — CID 102979134

IUPACN-(5-bromo-2-chloro-3-pyridinyl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cc(Br)cnc2Cl)n1
InChIInChI=1S/C12H9BrClN3O/c1-7-3-2-4-9(16-7)12(18)17-10-5-8(13)6-15-11(10)14/h2-6H,1H3,(H,17,18)
InChIKeyHZFMWLWHQVXAEL-UHFFFAOYSA-N
MW326.58 g/mol
LogP3.45
Rot. Bonds2

About N-(5-bromo-2-chloro-3-pyridinyl)-6-methylpyridine-2-carboxamide

N-(5-bromo-2-chloro-3-pyridinyl)-6-methylpyridine-2-carboxamide (PubChem CID 102979134) has the molecular formula C12H9BrClN3O and a molecular weight of 326.58 g/mol. Its IUPAC name is N-(5-bromo-2-chloro-3-pyridinyl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-chloro-3-pyridinyl)-6-methylpyridine-2-carboxamide
PubChem CID102979134
Molecular FormulaC12H9BrClN3O
Molecular Weight326.58 g/mol
Exact Mass324.96
IUPAC NameN-(5-bromo-2-chloro-3-pyridinyl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2cc(Br)cnc2Cl)n1
InChIInChI=1S/C12H9BrClN3O/c1-7-3-2-4-9(16-7)12(18)17-10-5-8(13)6-15-11(10)14/h2-6H,1H3,(H,17,18)
InChIKeyHZFMWLWHQVXAEL-UHFFFAOYSA-N
XLogP3.45
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-5-methyl-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 102979543
N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
CID 102979497
N-(5-bromo-2-chloro-3-pyridinyl)quinoline-2-carboxamide
CID 102979115
N-(5-bromo-2-chloro-3-pyridinyl)-2-hydroxybenzamide
CID 102979359
N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 102979453
N-(5-bromo-2-methoxyphenyl)-6-methylpyridine-2-carboxamide
CID 47317681
N-(5-bromo-2-chloro-3-pyridinyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 114052084
N-(5-bromo-2-chloro-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 102979254
N-(3-bromo-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 113230237
N-(5-bromo-2-chloro-3-pyridinyl)-3-methylsulfonylbenzamide
CID 102979236
N-(3-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 31759188
N-(4-amino-2-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 16785445

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)-6-methylpyridine-2-carboxamide?
The IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)-6-methylpyridine-2-carboxamide (CID 102979134) is N-(5-bromo-2-chloro-3-pyridinyl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-chloro-3-pyridinyl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-chloro-3-pyridinyl)-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)Nc2cc(Br)cnc2Cl)n1.
What is the InChIKey of N-(5-bromo-2-chloro-3-pyridinyl)-6-methylpyridine-2-carboxamide?
The InChIKey is HZFMWLWHQVXAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O/c1-7-3-2-4-9(16-7)12(18)17-10-5-8(13)6-15-11(10)14/h2-6H,1H3,(H,17,18).
What are the key properties of N-(5-bromo-2-chloro-3-pyridinyl)-6-methylpyridine-2-carboxamide?
N-(5-bromo-2-chloro-3-pyridinyl)-6-methylpyridine-2-carboxamide has a molecular weight of 326.58 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chloro-3-pyridinyl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 102979134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).